N-(2-aminoethyl)-3-fluoro-N-(2-phenylethyl)-4-pyrrolidin-1-ylbenzamide

C21H26FN3O — CID 120886194

IUPACN-(2-aminoethyl)-3-fluoro-N-(2-phenylethyl)-4-pyrrolidin-1-ylbenzamide
SMILESNCCN(CCc1ccccc1)C(=O)c1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C21H26FN3O/c22-19-16-18(8-9-20(19)24-12-4-5-13-24)21(26)25(15-11-23)14-10-17-6-2-1-3-7-17/h1-3,6-9,16H,4-5,10-15,23H2
InChIKeyGFSKCYOFZDJROA-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.07
Rot. Bonds7

About N-(2-aminoethyl)-3-fluoro-N-(2-phenylethyl)-4-pyrrolidin-1-ylbenzamide

N-(2-aminoethyl)-3-fluoro-N-(2-phenylethyl)-4-pyrrolidin-1-ylbenzamide (PubChem CID 120886194) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-fluoro-N-(2-phenylethyl)-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-fluoro-N-(2-phenylethyl)-4-pyrrolidin-1-ylbenzamide
PubChem CID120886194
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC NameN-(2-aminoethyl)-3-fluoro-N-(2-phenylethyl)-4-pyrrolidin-1-ylbenzamide
SMILESNCCN(CCc1ccccc1)C(=O)c1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C21H26FN3O/c22-19-16-18(8-9-20(19)24-12-4-5-13-24)21(26)25(15-11-23)14-10-17-6-2-1-3-7-17/h1-3,6-9,16H,4-5,10-15,23H2
InChIKeyGFSKCYOFZDJROA-UHFFFAOYSA-N
XLogP3.07
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-aminoethyl)-3-fluoro-N-(2-phenylethyl)-4-pyrrolidin-1-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-N-(2-phenylethyl)-4-piperidin-1-ylbenzamide
CID 120884964
N-(2-aminoethyl)-6-(azepan-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120884645
N-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide
CID 120886128
3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide
CID 120884910
3-fluoro-4-pyrrolidin-1-ylbenzoic acid
CID 28604177
N-(2-aminoethyl)-4-fluoro-3-(methylsulfanylmethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886409
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749
N-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120885347
N-(2-aminoethyl)-3-[(4-methylpiperazin-1-yl)methyl]-N-(2-phenylethyl)benzamide;dihydrochloride
CID 120884829
N-(2-aminoethyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886797
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-fluoro-N-(2-phenylethyl)-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(2-aminoethyl)-3-fluoro-N-(2-phenylethyl)-4-pyrrolidin-1-ylbenzamide (CID 120886194) is N-(2-aminoethyl)-3-fluoro-N-(2-phenylethyl)-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-3-fluoro-N-(2-phenylethyl)-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-3-fluoro-N-(2-phenylethyl)-4-pyrrolidin-1-ylbenzamide is NCCN(CCc1ccccc1)C(=O)c1ccc(N2CCCC2)c(F)c1.
What is the InChIKey of N-(2-aminoethyl)-3-fluoro-N-(2-phenylethyl)-4-pyrrolidin-1-ylbenzamide?
The InChIKey is GFSKCYOFZDJROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c22-19-16-18(8-9-20(19)24-12-4-5-13-24)21(26)25(15-11-23)14-10-17-6-2-1-3-7-17/h1-3,6-9,16H,4-5,10-15,23H2.
What are the key properties of N-(2-aminoethyl)-3-fluoro-N-(2-phenylethyl)-4-pyrrolidin-1-ylbenzamide?
N-(2-aminoethyl)-3-fluoro-N-(2-phenylethyl)-4-pyrrolidin-1-ylbenzamide has a molecular weight of 355.46 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-fluoro-N-(2-phenylethyl)-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 120886194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).